4K3K

E. Coli sliding clamp in complex with (S)-2-(4-methylpentanamido)-3-phenylpropanoic 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	2012-07-22
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	41.027, 64.693, 71.789
Unit cell angles	74.66, 83.22, 85.18

Refinement procedure

Resolution	34.950 - 1.850
R-factor	0.1957
Rwork	0.194
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mmi
RMSD bond length	0.005
RMSD bond angle	1.063
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.920
High resolution limit [Å]	1.850	3.990	1.850
Rmerge	0.029	0.023	0.129
Number of reflections	56309
<I/σ(I)>	28.5
Completeness [%]	93.2	98.4	78.4
Redundancy	3.9	3.9	3.6

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