1RQ7

MYCOBACTERIUM TUBERCULOSIS FTSZ IN COMPLEX WITH GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-06-29
Detector	MARRESEARCH
Spacegroup name	P 65
Unit cell lengths	88.619, 88.619, 179.196
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.990 - 2.600
R-factor	0.18672
Rwork	0.184
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PARTIALLY REFINED MODEL OF THE MYCOBACTERIUM TUBERCULOSIS FTSZ/CITRATE COMPLEX PDB ENTRY 1RQ2.
RMSD bond length	0.019
RMSD bond angle	1.619
Data reduction software	TRUNCATE
Data scaling software	SCALA
Phasing software	X-PLOR
Refinement software	REFMAC (5.1.27)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.119	0.476
Number of reflections	23644
<I/σ(I)>	6.7	1.7
Completeness [%]	96.6	77.3
Redundancy	2.6	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6	293	30% PEG 4000, 0.1M SODIUM CITRATE, 0.2M AMMONIUM ACETATE, 2MM SRI-7614, ETHYL (6-AMINO-2,3-DIHYDRO-4-PHENYL-1H-PYRIDO[4,3-B][1,4]DIAZEPIN-8-YL)-CARBAMATE, WAS INCLUDED AS WELL, BUT WAS NOT LOCATED IN THE FINAL STRUCTURE, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 5.60