4N9A

E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-08-10
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	79.780, 67.370, 81.120
Unit cell angles	90.00, 113.92, 90.00

Refinement procedure

Resolution	36.460 - 1.900
R-factor	0.2166
Rwork	0.214
R-free	0.26130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mmi
RMSD bond length	0.009
RMSD bond angle	1.379
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.153	43.860	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.021	0.397
Total number of observations		5106	17635
Number of reflections	57937
<I/σ(I)>	9.8	25.7	1.9
Completeness [%]	93.7	97.6	85.6
Redundancy	2.4	2.6	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	285	100mM MES, 100-150mM CaCl2, 25-30%(v/v) PEG400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K