6KFV

GroEL from Xanthomonas oryzae pv. oryzae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97940
Spacegroup name	P 21 21 21
Unit cell lengths	137.092, 239.500, 278.253
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.360 - 3.220
R-factor	0.2231
Rwork	0.219
R-free	0.30410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pkn
RMSD bond length	0.004
RMSD bond angle	1.434
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.260
High resolution limit [Å]	3.200	8.670	3.200
Rmerge	0.189	0.059	0.590
Total number of observations	683467
Number of reflections	145687	7659	7103
<I/σ(I)>	6.8
Completeness [%]	99.1	98.3	97.6
Redundancy	4.7	5.4	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.5	287	0.1M sodium chloride dihydrate, 0.1M sodium citrate, pH 4.0-4.5, 25-30% (v/v) (+/-)-2-methyl-2,4 pentadiol)