4PPN

Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-BN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-02-03
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 61
Unit cell lengths	106.730, 106.730, 70.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.600
R-factor	0.20313
Rwork	0.199
R-free	0.24186
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g19
RMSD bond length	0.005
RMSD bond angle	0.957
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.940	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.116	0.918
Number of reflections	14156
<I/σ(I)>	19.6	2.9
Redundancy	12	11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	298	15% PEG 3350, 10% PEG 5000 MME, 0.2M AMMONIUM ACETATE, 0.1M SODIUM CITRATE, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K